Schofield P F, Knight K S, Stretton I C
American Mineralogist 81 (1996) 847-851
Thermal expansion of gypsum investigated by neutron powder diffraction
T = 4.2 K
_database_code_amcsd 0001807
5.6740 15.1049 6.4909 90 118.513 90 *I2/a
.25 0 .25
atom x y z Biso
Ca .5 .07996 .25 .098
S 0 .07667 .75 .104
O1 .96413 .13282 .55028 .297
O2 .75763 .02194 .66427 .280
Ow .38342 .17240 .46179 .318
D1 .25369 .16662 .50769 1.428
D2 .40549 .24481 .49322 1.288
T = 150 K
_database_code_amcsd 0001808
5.6742 15.1236 6.5018 90 118.495 90 *I2/a
Ca .5 .07984 .25 .207
S 0 .07695 .75 .237
O1 .96371 .13292 .55070 .602
O2 .75753 .02170 .66443 .518
Ow .38222 .18229 .46024 .795
D1 .25341 .16210 .50655 1.911
D2 .40493 .24446 .49252 1.728
T = 320 K
_database_code_amcsd 0001809
5.6769 15.2074 6.5277 90 118.494 90 *I2/a
Ca .5 .07864 .25 .570
S 0 .07872 .75 .504
O1 .96164 .13263 .55120 1.177
O2 .75714 .02154 .66527 .970
Ow .37837 .18255 .46544 1.749
D1 .25043 .16150 .50086 3.520
D2 .40225 .24347 .49003 3.074
Knight K S, Stretton I C, Schofield P F
Physics and Chemistry of Minerals 26 (1999) 477-483
Temperature evolution between 50 K and 320 K of the
thermal expansion tensor of gypsum derived from neutron powder
diffraction data
Sample: T = 320 K
_database_code_amcsd 0008228
atom x y z
Ca .5 .0786 .25
S 0 .0787 .75
O1 -.0384 .1326 .5512
O2 .2429 .0215 .8347
Ow .3784 .1825 .4554
D1 .2504 .1615 .5009
D2 .4022 .2435 .4900
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